Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces
文献类型：期刊论文
| 作者 | Wang, YP ; Han, XF ; Wu, YN ; Cheng, HP |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2012 |
| 卷号 | 85期号:14 |
| 关键词 | DENSITY-FUNCTIONAL THEORY GIANT MAGNETORESISTANCE ELECTRONIC-STRUCTURE ROOM-TEMPERATURE SPIN INJECTION INTERFACE ALQ(3) ALUMINUM ENERGY METAL |
| ISSN号 | 1098-0121 |
| 通讯作者 | Wang, YP: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We studied the adsorption of tris(8-hydroxyquinoline) aluminum (Alq(3)) molecules on cobalt surfaces using density functional theory with the generalized gradient approximation. The van der Waals interaction between Alq(3) molecules and cobalt surfaces was included by the dispersion correction. Magnetization of Alq(3) molecules, adsorption energies, and bonding energies were obtained for smooth and defective surfaces and for various molecule-surface configurations. Electronic structures were analyzed for states that are relatively stable. We found that both the permanent electric dipole of Alq(3) molecules and the charge redistribution near the interface contribute to the interface dipole, and the interface dipole due to charge redistribution is important to determine the work function of a Co/Alq(3) surface. Our calculated energy-level alignment at interfaces is consistent with experimental observations. |
| 收录类别 | SCI |
| 资助信息 | Ministry of Science and Technology (MOST) [2010CB934400]; National Natural Science Foundation of China (NSFC) [10934099, 51021061]; US DOE [BES DE-FG02-02ER45995]; K. C. Wong Education Foundation, Hong Kong |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33502]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, YP,Han, XF,Wu, YN,et al. Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces[J]. PHYSICAL REVIEW B,2012,85(14). |
| APA | Wang, YP,Han, XF,Wu, YN,&Cheng, HP.(2012).Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces.PHYSICAL REVIEW B,85(14). |
| MLA | Wang, YP,et al."Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces".PHYSICAL REVIEW B 85.14(2012). |
入库方式： OAI收割
来源：物理研究所
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